16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=27680.232262093363 stress="-1.6314579629452595 0.17967484222931368 -0.3798638560209088 0.17967484222931368 -1.5689249585987493 -0.06930343753691429 -0.3798638560209088 -0.06930343753691429 -1.5963885267907403" pbc="F F F" Pm 21.22811156 21.00514875 21.19482935 -4754.22992550 -2238.26527868 -4310.51216922 Pm 22.61751332 22.40807186 22.70779463 -7379.83075277 16929.10325317 -11389.77334368 Pm 23.80962434 20.96021565 21.16294503 4791.92718961 -3936.89253987 -5225.83461398 Pm 25.69219296 22.62293121 22.49840161 2538.27909086 -2463.72676015 166.64163651 Pm 20.77576164 24.30900823 21.05923257 -2773.33449492 -1016.15101160 -1757.65420001 Pm 22.78865190 25.23494148 22.28296740 -9005.74023737 10814.40427557 9717.50106683 Pm 24.16683807 24.15293522 20.88104555 4122.89397165 -10907.65371312 -17616.88286547 Pm 25.51066455 25.20365970 22.48404612 6983.48450453 6990.90194279 5052.66245969 Pm 21.15036663 20.84988540 23.83183234 -5457.79784060 -5313.78862890 3647.06572575 Pm 22.38607992 22.48592077 25.57226908 9296.82854284 -16447.41230884 19769.33696353 Pm 23.89633075 21.02716645 23.87161221 11984.70577909 -14135.71189613 10643.88469511 Pm 25.66886604 22.31844545 25.60669519 1306.73937004 -401.48386470 1196.79496309 Pm 21.24302495 23.78770693 24.25421593 -19891.63112897 11807.65045090 -15927.09124452 Pm 22.15931046 25.46318594 25.68996499 1482.46041529 6259.77697852 5186.70706489 Pm 23.87332607 23.96287107 24.32240519 -169.69684660 -3015.02022623 -4362.88369567 Pm 25.35727162 25.44651365 25.30172574 6924.94236281 7074.26932726 5210.03755714